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Fix bug in findpaths5 

The findpaths6 was not called
This commit is contained in:
Sylvain Tricot 2025-03-23 18:02:52 +01:00
parent c7f1223341
commit fb03b441c5
3 changed files with 4 additions and 3 deletions
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4
src/msspec/spec/fortran/phd_se_noso_nosp_nosym/findpaths5.f
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@ -342,8 +342,8 @@ C
ENDIF ENDIF
ENDIF ENDIF
IF(ND.EQ.NDIF) GOTO 32 IF(ND.EQ.NDIF) GOTO 32
c CALL FINDPATHS(ND,KTYP,KATL,I_CP,R,XR,YR,ZR,RHOJK, CALL FINDPATHS6(ND,KTYP,KATL,I_CP,R,XR,YR,ZR,RHOJK,
c 1 THJK,PHIJK,ZSURF,JPOS,PW,JE,FREF,DIJ,TAU) 1 THJK,PHIJK,ZSURF,JPOS,PW,JE,FREF,DIJ,TAU)
32 DIJ=DIJ-R(ND) 32 DIJ=DIJ-R(ND)
22 IF(IN(ND-1).EQ.1) NTHOF=NTHOF-1 22 IF(IN(ND-1).EQ.1) NTHOF=NTHOF-1
IT(ND-1)=0 IT(ND-1)=0

2
src/options.mk
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@ -3,7 +3,7 @@ PYMAJ = 3
PYMIN = 5 PYMIN = 5
FC = gfortran FC = gfortran
F2PY = f2py --f77exec=$(FC) --f90exec=$(FC) F2PY = python -m numpy.f2py --f77exec=$(FC) --f90exec=$(FC)
NO_VENV = 0 NO_VENV = 0
DEBUG = 0 DEBUG = 0

1
src/pip.freeze
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@ -8,5 +8,6 @@ Pint
pandas pandas
pycairo pycairo
scipy scipy
setuptools==73.0.1
setuptools-scm setuptools-scm
terminaltables terminaltables